SCHEMBL8516031

SCHEMBL8516031

Cn1cc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
EPHX2 P34913 1/20 0.47
ACHE P22303 1/20 0.46
SLC5A2 P31639 4/20 0.45
SLC5A1 P13866 1/20 0.45
TYR P14679 2/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 1/20 0.43
SLC28A3 Q9HAS3 1/20 0.43
PTGS1 P23219 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8516029 1.00 KMT2A (0.51) KMT2AMEN1EPHX2ACHESLC5A2
SCHEMBL8516028 0.87 KMT2A (0.38) KMT2AMEN1EPHX2ACHESLC5A2
SCHEMBL29461029 0.83 ATM (0.56) KMT2AMEN1EPHX2ACHESLC5A2
SCHEMBL17439159 0.83 ATM (0.56) KMT2AMEN1EPHX2ACHESLC5A2
SCHEMBL3191173 0.83 ATM (0.56) KMT2AMEN1EPHX2ACHESLC5A2
SCHEMBL6561299 0.83 ATM (0.56) KMT2AMEN1EPHX2ACHESLC5A2
SCHEMBL19846979 0.83 ATM (0.56) KMT2AMEN1EPHX2ACHESLC5A2
SCHEMBL19854889 0.83 ATM (0.56) KMT2AMEN1EPHX2ACHESLC5A2
SCHEMBL233859 0.83 ATM (0.56) KMT2AMEN1EPHX2ACHESLC5A2
SCHEMBL14889509 0.80 TYR (0.44) KMT2AMEN1EPHX2ACHESLC5A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999050438-A2 CHROMOGENIC INDOLE DERIVATIVES INALCO S.P.A. (IT) 1999-10-07 WO disclosed